LiMn2F9
LiMn2F9 is a semiconducting lithium-manganese fluoride compound that is theoretically stable enough to be synthesized in a laboratory setting.
About LiMn2F9
LiMn2F9 is a complex fluoride compound characterized by its semiconducting electronic nature. Its composition suggests a unique structural arrangement that bridges the gap between simple binary fluorides and more intricate multi-element ionic frameworks.
As a near-hull material, this compound occupies a favorable position on the thermodynamic stability landscape. This suggests that it is a viable candidate for synthesis, making it a subject of interest for researchers exploring new fluoride-based materials for advanced chemical or electronic applications.
Key Properties
Cross-validated computational properties for LiMn2F9, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for LiMn2F9, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 2.28 | 0.0140 | -5.681 | 2.73 |
| P1 (No. 1) | triclinic | 2.30 | 0.0355 | -7.648 | 3.10 |
| P-1 (No. 2) | triclinic | 1.00 | 0.0837 | -5.611 | 2.95 |
| P1 (No. 1) | Triclinic | — | — | — | 2.73 |
| P1 (No. 1) | Triclinic | — | — | — | 2.94 |
| P1 (No. 1) | Triclinic | — | — | — | 2.82 |
| P-1 (No. 2) | — | — | — | — | — |
Frequently Asked Questions
Common questions about LiMn2F9, answered from cross-validated data.
What is LiMn2F9?
LiMn2F9 is a semiconducting lithium-manganese fluoride compound that is theoretically stable enough to be synthesized in a laboratory setting.
What is the band gap of LiMn2F9?
Is LiMn2F9 a metal, semiconductor, or insulator?
Is LiMn2F9 thermodynamically stable?
What is the crystal structure of LiMn2F9?
What is the density of LiMn2F9?
How many polymorphs of LiMn2F9 are known?
What elements does LiMn2F9 contain?
Where does the data for LiMn2F9 come from?
How It Compares
As a unique fluoride phase, LiMn2F9 represents a specialized entry in the broader landscape of lithium-manganese-fluorine chemistry. Unlike more common binary or ternary fluorides, its specific stoichiometry places it in a distinct structural category, highlighting the complexity of phase formation in this chemical system.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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